| Kirkwood–Buff integrals for finite volumes P Krüger, SK Schnell, D Bedeaux, S Kjelstrup, TJH Vlugt, JM Simon The Journal of Physical Chemistry Letters 4 (2), 235-238, 2013 | 222 | 2013 |
| Calculating thermodynamic properties from fluctuations at small scales SK Schnell, X Liu, JM Simon, A Bardow, D Bedeaux, TJH Vlugt, ... The Journal of Physical Chemistry B 115 (37), 10911-10918, 2011 | 145 | 2011 |
| Diffusion coefficients from molecular dynamics simulations in binary and ternary mixtures X Liu, SK Schnell, JM Simon, P Krüger, D Bedeaux, S Kjelstrup, A Bardow, ... International journal of thermophysics 34, 1169-1196, 2013 | 132 | 2013 |
| Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations X Liu, A Martín-Calvo, E McGarrity, SK Schnell, S Calero, JM Simon, ... Industrial & engineering chemistry research 51 (30), 10247-10258, 2012 | 118 | 2012 |
| Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics X Liu, SK Schnell, JM Simon, D Bedeaux, S Kjelstrup, A Bardow, ... The Journal of Physical Chemistry B 115 (44), 12921-12929, 2011 | 100 | 2011 |
| Thermodynamics of a small system in a μT reservoir SK Schnell, TJH Vlugt, JM Simon, D Bedeaux, S Kjelstrup Chemical Physics Letters 504 (4-6), 199-201, 2011 | 99 | 2011 |
| Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects SK Schnell, TJH Vlugt, JM Simon, D Bedeaux, S Kjelstrup Molecular Physics 110 (11-12), 1069-1079, 2012 | 90 | 2012 |
| Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface F Goujon, P Malfreyt, JM Simon, A Boutin, B Rousseau, AH Fuchs The Journal of chemical physics 121 (24), 12559-12571, 2004 | 86 | 2004 |
| Thermal Flux through a Surface of n-Octane. A Non-equilibrium Molecular Dynamics Study JM Simon, S Kjelstrup, D Bedeaux, B Hafskjold The Journal of Physical Chemistry B 108 (22), 7186-7195, 2004 | 84 | 2004 |
| Finite-size effects of Kirkwood–Buff integrals from molecular simulations N Dawass, P Krüger, SK Schnell, D Bedeaux, S Kjelstrup, JM Simon, ... Molecular Simulation 44 (7), 599-612, 2018 | 76 | 2018 |
| Kirkwood-Buff integrals from molecular simulation N Dawass, P Krüger, SK Schnell, JM Simon, TJH Vlugt Fluid Phase Equilibria 486, 21-36, 2019 | 74 | 2019 |
| Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential J Ge, S Kjelstrup, D Bedeaux, JM Simon, B Rousseau Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (6 …, 2007 | 69 | 2007 |
| How to apply the Kirkwood–Buff theory to individual species in salt solutions SK Schnell, P Englebienne, JM Simon, P Krüger, SP Balaji, S Kjelstrup, ... Chemical Physics Letters 582, 154-157, 2013 | 66 | 2013 |
| Characterization of adsorbed water in MIL-53 (Al) by FTIR spectroscopy and ab-initio calculations JM Salazar, G Weber, JM Simon, I Bezverkhyy, JP Bellat The Journal of Chemical Physics 142 (12), 2015 | 63 | 2015 |
| Criteria for validity of thermodynamic equations from non-equilibrium molecular dynamics simulations S Kjelstrup, D Bedeaux, I Inzoli, JM Simon Energy 33 (8), 1185-1196, 2008 | 55 | 2008 |
| Interface film resistivities for heat and mass transfers integral relations verified by non-equilibrium molecular dynamics JM Simon, D Bedeaux, S Kjelstrup, J Xu, E Johannessen The Journal of Physical Chemistry B 110 (37), 18528-18536, 2006 | 55 | 2006 |
| Thermal diffusion in alkane binary mixtures: A molecular dynamics approach JM Simon, DK Dysthe, AH Fuchs, B Rousseau Fluid Phase Equilibria 150, 151-159, 1998 | 55 | 1998 |
| Adsorption of hydrogen isotopes in the zeolite NaX: Experiments and simulations JM Salazar, S Lectez, C Gauvin, M Macaud, JP Bellat, G Weber, ... International Journal of Hydrogen Energy 42 (18), 13099-13110, 2017 | 53 | 2017 |
| Diffusion of oxygen in cork S Lequin, D Chassagne, T Karbowiak, JM Simon, C Paulin, JP Bellat Journal of agricultural and food chemistry 60 (13), 3348-3356, 2012 | 53 | 2012 |
| Size and shape effects on the thermodynamic properties of nanoscale volumes of water BA Strøm, JM Simon, SK Schnell, S Kjelstrup, J He, D Bedeaux Physical Chemistry Chemical Physics 19 (13), 9016-9027, 2017 | 45 | 2017 |
Signe KjelstrupNorwegian University of Science and TechnologyVerified email at ntnu.no
